Ice Nanocolumns: A Molecular Dynamics Study

PEREYRA, RODOLFO GUILLERMO; CARIGNANO, MARCELO ANDRÉS

JOURNAL OF PHYSICAL CHEMISTRY

AMER CHEMICAL SOC

Año: 2009 vol. 113 p. 12699 - 12705

0022-3654

Ice nanocolumns parallel to the c axis of hexagonal ice are studied by molecular dynamics simulations. It is found that the columns have a very stable hexagonal cross section and are wetted by a thin quasi-liquid layer which forms the interface with the vapor. The Gibbs-Thomson effect is clearly observed, as the melting temperature decreases with increasing curvature. The ice/quasi-liquid layer contact is generally a sharp interface on the primary prismatic plane of the ice, and the secondary prismatic plane is observed to be unstable. The hexagonal cross section of the columns is maintained during the melting process.